3-(dimethylaminomethyl)-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 3-(dimethylaminomethyl)-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 3-(dimethylaminomethyl)-N-[(1S)-2-oxo-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 3-(dimethylaminomethyl)-N-[(1S)-2-oxo-1-phenylpropyl]-2-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 3-(dimethylaminomethyl)-N-[(1S)-2-oxo-1-phenylpropyl]-2-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 3-(dimethylaminomethyl)-N-[(1S)-2-keto-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(N(CC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C

Isomeric SMILES

CC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=C(N(CC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C

InChI

InChI=1S/C28H29N3O2/c1-20(32)27(21-12-6-4-7-13-21)29-28(33)26-24-17-11-10-14-22(24)18-31(25(26)19-30(2)3)23-15-8-5-9-16-23/h4-17,27H,18-19H2,1-3H3,(H,29,33)/t27-/m1/s1